3-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 3-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 3-[[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)NCCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)NCCCO

InChI

InChI=1S/C21H20N6O3/c28-10-4-9-22-21-25-19(24-14-7-8-17-18(11-14)30-13-29-17)16-12-23-27(20(16)26-21)15-5-2-1-3-6-15/h1-3,5-8,11-12,28H,4,9-10,13H2,(H2,22,24,25,26)